2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid

C21H15ClN2O2S — CID 3145374

IUPAC2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2cccc3ccccc23)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O2S/c22-15-10-8-14(9-11-15)20-18(12-19(25)26)27-21(24-20)23-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,23,24)(H,25,26)
InChIKeyQRTAKFRKYVELKR-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.99
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid

2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 3145374) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
PubChem CID3145374
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC Name2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2cccc3ccccc23)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O2S/c22-15-10-8-14(9-11-15)20-18(12-19(25)26)27-21(24-20)23-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,23,24)(H,25,26)
InChIKeyQRTAKFRKYVELKR-UHFFFAOYSA-N
XLogP5.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(4-Chlorophenyl)-2-(diphenylamino)thiazol-5-yl)acetic acid
CID 16660290
Thiazole-5-acetic acid, 2-benzylamino-4-(p-chlorophenyl)-
CID 3054243
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)-
CID 184853
2-Amino-4-(4-chlorophenyl)thiazole-5-acetic acid
CID 198256
2-{2-[(2-Chlorophenyl)amino]-4-phenyl-1,3-thiazol-5-YL}acetic acid
CID 770921
(2-Anilino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 950344
2-(4-(4-Fluorophenyl)-2-(phenylamino)thiazol-5-yl)acetic acid
CID 1282226
2-[2-(Naphthylamino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 3145376
2-(2-(4-Chlorophenylamino)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 3145377
2-(4-(4-Chlorophenyl)-2-(p-tolylamino)thiazol-5-yl)acetic acid
CID 15422467
2-(2-Benzamido-4-(4-chlorophenyl)thiazol-5-yl)acetic acid
CID 39200227
2-(4-(4-Chlorophenyl)-2-(phenethylamino)thiazol-5-yl)acetic acid
CID 46229989

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid (CID 3145374) is 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2cccc3ccccc23)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is QRTAKFRKYVELKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-15-10-8-14(9-11-15)20-18(12-19(25)26)27-21(24-20)23-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,23,24)(H,25,26).
What are the key properties of 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 394.88 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 3145374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).